SCHEMBL4080651

SCHEMBL4080651

C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(-c4ccccc4N)c3)nc2n1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.78
MTOR P42345 19/20 0.74

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL393754 0.88 AKT1 (1.00) AKT1MTOR
SCHEMBL18434073 0.88 AKT1 (1.00) AKT1MTOR
SCHEMBL289851 0.88 AKT1 (1.00) AKT1MTOR
SCHEMBL2901002 0.85 MTOR (1.00) AKT1MTOR
SCHEMBL26062596 0.85 MTOR (1.00) AKT1MTOR
SCHEMBL2903023 0.85 MTOR (1.00) AKT1MTOR
SCHEMBL10224929 0.84 MTOR (1.00) AKT1MTOR
SCHEMBL18434394 0.83 MTOR (1.00) AKT1MTOR
SCHEMBL392022 0.83 MTOR (1.00) AKT1MTOR
SCHEMBL392021 0.83 MTOR (1.00) AKT1MTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057156-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Kudos Pharmaceuticals Limited (GB) 2009-05-13 EP disclosed
WO-2008023161-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-02-28 WO disclosed